Glycoside
GD075164
Name:
NoneFormula:
C16H20O7N2SSmiles:
O=C(c1cccs1)N1CC2(C1)CN(C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2Aglycone:
O=CN1CC2(C1)CN(C(=O)c1cccs1)C2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 384.41 | Num_heavy_atoms: | 26 |
| TPSA: | 130.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD34811
Formula: C11H12O2N2S
Smiles:
O=CN1CC2(C1)CN(C(=O)c1cccs1)C2| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.3 | Num_heavy_atoms: | 16 |
| TPSA: | 40.62 | NumAromaticRings: | 1 |
